AMBER Archive (2008)

Subject: AMBER: generate topology file for alanine scanning (mmpbsa)

From: luzhenw1_at_msu.edu
Date: Thu Aug 14 2008 - 14:32:56 CDT

Dear all:

     For alanine scanning in mmpbsa,  the topology file
has to be prepared for each mutant. Currently I modify
the original pdb file and use tleap to generate those
files. it is kind time-consuming for many muatants. I
wonder if anyone has better way to do it.  Thanks in
advance.

 

 

 

                                         

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